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Merck
CN

184357

(Phenylsulfonyl)acetonitrile

98%

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About This Item

Linear Formula:
C6H5SO2CH2CN
CAS Number:
7605-28-9
Molecular Weight:
181.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851110
EC Number:
231-515-0
Beilstein/REAXYS Number:
640716
MDL number:
MFCD00007550

Key Documents

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Product Name

(Phenylsulfonyl)acetonitrile, 98%

InChI key

ZFCFFNGBCVAUDE-UHFFFAOYSA-N

InChI

1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2

SMILES string

O=S(=O)(CC#N)c1ccccc1

assay

98%

form

solid

mp

112-114 °C (lit.)

functional group

nitrile
sulfone

Quality Level

100

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General description

Condensation reaction of (phenylsulfonyl)acetonitrile with benzaldehyde in water in heterogeneous phase in the presence and absence of anionic and cationic surfactants has been studied. Dehydrative alkylation of alcohols with (phenylsulfonyl)acetonitrile under modified Mitsunobu conditions has been investigated.

Application

(Phenylsulfonyl)acetonitrile was used in the synthesis of pyridines, chromenes and thiophene derivatives based on sulfones.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW3295
MKCQ6094
MKCP8097
MKBW3328V
MKBT4505V

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Two-carbon elongation/annulation of alcohols to nitriles.
Lai J-Y, et al.
Tetrahedron Letters, 36(32), 5691-5694 (1995)
Utility of sulphones in heterocyclic synthesis: Synthesis of some pyridine, chromene and thiophene derivatives.
Fadda AA, et al.
Macromolecules, 5(5), 701-709 (2000)
Condensation reactions in water of active methylene compounds with arylaldehydes. One-pot synthesis of flavonols.
Fringuelli F, et al.
Tetrahedron, 50(39), 11499-11508 (1994)

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